⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL25297939 | 0.86 | ELANE (0.30) | — | |
| SCHEMBL3697020 | 0.76 | — | — | |
| SCHEMBL13836477 | 0.73 | F11 (0.46) | — | |
| SCHEMBL6912442 | 0.73 | L3MBTL3 (0.31) | — | |
| SCHEMBL1250776 | 0.72 | L3MBTL3 (0.33) | — | |
| SCHEMBL23421462 | 0.72 | L3MBTL3 (0.33) | — | |
| SCHEMBL19212832 | 0.71 | SMYD3 (0.30) | — | |
| SCHEMBL17112985 | 0.71 | SMYD3 (0.30) | — | |
| SCHEMBL2692522 | 0.71 | TFPI2 (0.39) | — | |
| SCHEMBL7674281 | 0.70 | KDR (0.33) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023122662-A1 | COVALENTLY BINDING INHIBITORS OF G12S, G12D AND/OR G12E MUTANTS OF K-RAS GTPASE | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2023-06-29 | — | — | WO | disclosed |